2-cyano-N-[(2,4-dimethylphenyl)methyl]butanamide

Name: 2-cyano-N-[(2,4-dimethylphenyl)methyl]butanamide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₄H₁₈N₂O — CID 115188283

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC2-cyano-N-[(2,4-dimethylphenyl)methyl]butanamide

SMILESCCC(C#N)C(=O)NCc1ccc(C)cc1C

InChIInChI=1S/C14H18N2O/c1-4-12(8-15)14(17)16-9-13-6-5-10(2)7-11(13)3/h5-7,12H,4,9H2,1-3H3,(H,16,17)

InChIKeyIXGOHNVSCSNUSQ-UHFFFAOYSA-N

MW230.31 g/mol

LogP2.47

Rot. Bonds4

About 2-cyano-N-[(2,4-dimethylphenyl)methyl]butanamide

2-cyano-N-[(2,4-dimethylphenyl)methyl]butanamide (PubChem CID 115188283) has the molecular formula C₁₄H₁₈N₂O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-cyano-N-[(2,4-dimethylphenyl)methyl]butanamide.

Molecular Properties

Compound Name	2-cyano-N-[(2,4-dimethylphenyl)methyl]butanamide
PubChem CID	115188283
Molecular Formula	C₁₄H₁₈N₂O
Molecular Weight	230.31 g/mol
Exact Mass	230.14
IUPAC Name	2-cyano-N-[(2,4-dimethylphenyl)methyl]butanamide
SMILES	CCC(C#N)C(=O)NCc1ccc(C)cc1C
InChI	InChI=1S/C14H18N2O/c1-4-12(8-15)14(17)16-9-13-6-5-10(2)7-11(13)3/h5-7,12H,4,9H2,1-3H3,(H,16,17)
InChIKey	IXGOHNVSCSNUSQ-UHFFFAOYSA-N
XLogP	2.47
TPSA	52.89 Å²
H-Bond Donors	1
H-Bond Acceptors	2
Rotatable Bonds	4
Heavy Atoms	17
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	230.31
LogP ≤ 5	2.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(2,4-dimethylphenyl)methyl]butanamide?

The IUPAC name of 2-cyano-N-[(2,4-dimethylphenyl)methyl]butanamide (CID 115188283) is 2-cyano-N-[(2,4-dimethylphenyl)methyl]butanamide.

What is the SMILES notation for 2-cyano-N-[(2,4-dimethylphenyl)methyl]butanamide?

The canonical SMILES for 2-cyano-N-[(2,4-dimethylphenyl)methyl]butanamide is CCC(C#N)C(=O)NCc1ccc(C)cc1C.

What is the InChIKey of 2-cyano-N-[(2,4-dimethylphenyl)methyl]butanamide?

The InChIKey is IXGOHNVSCSNUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-4-12(8-15)14(17)16-9-13-6-5-10(2)7-11(13)3/h5-7,12H,4,9H2,1-3H3,(H,16,17).

What are the key properties of 2-cyano-N-[(2,4-dimethylphenyl)methyl]butanamide?

2-cyano-N-[(2,4-dimethylphenyl)methyl]butanamide has a molecular weight of 230.31 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyano-N-[(2,4-dimethylphenyl)methyl]butanamide is sourced from PubChem (CID 115188283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 115188283 — identifiers, structure, computed properties (public domain)

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